CID 581719

2-chloro-5-methylpyrimidine

Structural Information

Molecular Formula
C5H5ClN2
SMILES
CC1=CN=C(N=C1)Cl
InChI
InChI=1S/C5H5ClN2/c1-4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKey
APRMCBSTMFKLEI-UHFFFAOYSA-N
Compound name
2-chloro-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1666
Patents

128.01413 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02141 120.0
[M+Na]+ 151.00335 135.5
[M+NH4]+ 146.04795 129.5
[M+K]+ 166.97729 128.2
[M-H]- 127.00685 121.9
[M+Na-2H]- 148.98880 128.9
[M]+ 128.01358 123.1
[M]- 128.01468 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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